SCHEMBL11646356

SCHEMBL11646356

CCc1nc(-c2ccccc2)c(NC(=O)Nc2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.60
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK14 Q16539 1/20 0.47
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11651929 0.88 NTRK1 (0.55) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL11648787 0.82 NTRK1 (0.89) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL11652002 0.81 MAPT (0.69) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL8823062 0.77 MAPT (0.64) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL16595137 0.76 NTRK1 (1.00) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL8823059 0.74 NTRK1 (0.57) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL27654539 0.73 CDC7 (0.54) MAPTALDH1A1NPC1RAB9AMAPK14
SCHEMBL5814359 0.71 NTRK1 (0.85) NTRK1MAPTALDH1A1POLBGAA
SCHEMBL10268752 0.71 CDC7 (0.51) MAPTALDH1A1MAPK14KMT2AMEN1
SCHEMBL6499055 0.69 MAPK14 (0.47) NPC1RAB9AMAPK14KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed